AIDDISON: Harnessing the power of AI for drug discovery screening!
Confirming molecular interactions of desirable drug candidates, a new virtual drug discovery begins here.
AIDDISON" is a platform that combines artificial intelligence (AI) and computer-aided drug design (CADD) tools to integrate virtual screening in medicinal chemistry, scaffold hopping, identification of hit compounds, and optimization of lead compounds into one. Using generative methods and machine learning models trained on experimentally validated ADMET data, it guides the search in ultra-large chemical spaces and the de novo design of synthesizable compounds that resemble drugs. It also incorporates well-known robust chemical transformation rules in the SA-space. 【Features】 ■ De novo molecular design ■ Similarity and pharmacophore model searching ■ Shape-based searching ■ Molecular docking simulations For the synthesis of target compounds, we also recommend the retro-synthesis analysis software "SYNTHIA." *For more details, please refer to the PDF materials or feel free to contact us. If you wish to request a demo, please contact us and indicate "Demo Request.
- Company：メルク株式会社ライフサイエンス（シグマ アルドリッチ ジャパン合同会社）
- Price：Other
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